3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide

C15H19ClN4O — CID 19509416

IUPAC3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C15H19ClN4O/c1-20(2)9-3-8-17-15(21)14-10-13(18-19-14)11-4-6-12(16)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyWIHJUTDYDMYRPN-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.41
Rot. Bonds6

About 3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide (PubChem CID 19509416) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide
PubChem CID19509416
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C15H19ClN4O/c1-20(2)9-3-8-17-15(21)14-10-13(18-19-14)11-4-6-12(16)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyWIHJUTDYDMYRPN-UHFFFAOYSA-N
XLogP2.41
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide (CID 19509416) is 3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide is CN(C)CCCNC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide?
The InChIKey is WIHJUTDYDMYRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-20(2)9-3-8-17-15(21)14-10-13(18-19-14)11-4-6-12(16)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of 3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide has a molecular weight of 306.80 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19509416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).